BDBM50021573 CHEBI:81771::CHEMBL1489913

SMILES: O=c1ccc(=O)[nH][nH]1

InChI Key: InChIKey=BGRDGMRNKXEXQD-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50021573   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Vascular adhesion protein 1 (VAP-1) (Homo sapiens (Human))	BDBM50021573 (CHEBI:81771 | CHEMBL1489913) Show SMILES O=c1ccc(=O)[nH][nH]1 Show InChI InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University) Curated by ChEMBL					Assay Description Inhibition of human VAP1				Eur J Med Chem 83: 581-93 (2014) Article DOI: 10.1016/j.ejmech.2014.06.068 BindingDB Entry DOI: 10.7270/Q2R78GTF
					More data for this Ligand-Target Pair